ergo
DIISManager Class Reference

#include <diis_general.h>

Inheritance diagram for DIISManager:
DIISManagerRestricted DIISManagerUnrestricted

Public Member Functions

int Initialize (int noOfIters)
 
int GetNoOfIters ()
 

Protected Member Functions

 DIISManager ()
 
virtual ~DIISManager ()
 
ergo_real DoScalarProductOfErrorMatrices (const normalMatrix &E1, const normalMatrix &E2)
 
int RemoveOldestIteration ()
 

Protected Attributes

symmMatrix ** F_list [2]
 
normalMatrix ** E_list [2]
 
int MaxNoOfIters
 
int MatrixDimension
 
int IterCount
 
ergo_realB
 

Constructor & Destructor Documentation

◆ DIISManager()

DIISManager::DIISManager ( )
protected

References B, E_list, F_list, IterCount, and MaxNoOfIters.

◆ ~DIISManager()

DIISManager::~DIISManager ( )
protectedvirtual

References B, E_list, and F_list.

Member Function Documentation

◆ DoScalarProductOfErrorMatrices()

ergo_real DIISManager::DoScalarProductOfErrorMatrices ( const normalMatrix E1,
const normalMatrix E2 
)
protected

◆ GetNoOfIters()

int DIISManager::GetNoOfIters ( )

References IterCount.

Referenced by SCF_general::do_SCF_iterations().

◆ Initialize()

int DIISManager::Initialize ( int  noOfIters)

◆ RemoveOldestIteration()

int DIISManager::RemoveOldestIteration ( )
protected

Member Data Documentation

◆ B

◆ E_list

◆ F_list

◆ IterCount

◆ MatrixDimension

int DIISManager::MatrixDimension
protected

◆ MaxNoOfIters


The documentation for this class was generated from the following files: